#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:11:19 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180828 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/59/2015960.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2015960_Fobs
loop_
_publ_author_name
'Xie, Yi-Ming'
'Wu, Ji-Huai'
_publ_section_title
;
 The layered compound
 poly[\m~2~-4,4'-bipyridyl-di-\m~2~-chlorido-mercury(II)]
;
_journal_coeditor_code           LN3048
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m220
_journal_page_last               m221
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   11.6289
_cell_length_b                   12.1790
_cell_length_c                   3.8538
_exptl_crystal_F_000             392.00
_reflns_d_resolution_high        0.8301
_cod_data_source_file            ln3048Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' 65 in Cmmm      '[HgCl2(4,4'-Bipy)]n''
_shelx_refln_list_code           4
_shelx_f_calc_maximum            209.48
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
2 0 0 25712.40 26584.74 143.73 o
4 0 0 33650.88 33723.87 934.14 o
6 0 0 15595.97 15485.98 180.67 o
8 0 0 17650.74 17202.88 223.91 o
10 0 0 8579.59 8860.03 184.83 o
12 0 0 5741.16 6077.64 172.71 o
14 0 0 3636.63 3484.41 152.27 o
3 1 0 27389.45 27416.34 598.47 o
5 1 0 31786.57 32914.70 248.41 o
7 1 0 12613.56 12531.13 177.49 o
9 1 0 9076.99 8832.06 172.08 o
11 1 0 8548.35 8434.78 191.38 o
13 1 0 3619.70 3609.32 150.09 o
0 2 0 38484.93 40731.66 194.10 o
2 2 0 9512.25 10130.15 103.48 o
4 2 0 12321.93 12981.61 143.05 o
6 2 0 7615.50 7705.19 131.52 o
8 2 0 6105.95 6409.83 139.71 o
10 2 0 4628.15 4772.77 138.69 o
12 2 0 3011.95 2986.16 132.10 o
1 3 0 6894.19 7058.82 131.12 o
3 3 0 3561.80 3593.71 53.04 o
5 3 0 7890.50 7903.63 129.32 o
7 3 0 5189.93 5375.91 122.54 o
9 3 0 4659.69 4691.10 131.17 o
11 3 0 3104.55 3228.96 124.53 o
13 3 0 1525.06 1461.66 99.50 o
0 4 0 7534.96 8035.09 110.02 o
2 4 0 12812.93 13405.74 148.52 o
4 4 0 9005.72 9576.74 140.20 o
6 4 0 8524.10 8760.22 152.30 o
8 4 0 1925.96 2099.87 87.53 o
10 4 0 4885.68 5142.59 150.45 o
12 4 0 2524.82 2492.88 123.22 o
1 5 0 21209.09 22208.72 208.60 o
3 5 0 8617.02 8819.20 137.57 o
5 5 0 14093.28 14899.96 198.09 o
7 5 0 10725.20 11007.34 189.07 o
9 5 0 9224.61 9228.44 194.30 o
11 5 0 3954.10 4202.63 146.37 o
13 5 0 2331.28 2261.82 122.11 o
0 6 0 18704.76 18847.10 207.57 o
2 6 0 24556.93 26793.03 254.47 o
4 6 0 17403.61 18166.88 223.75 o
6 6 0 15050.10 14780.45 218.27 o
8 6 0 4257.36 4209.94 128.95 o
10 6 0 8199.27 8559.64 200.53 o
12 6 0 4062.62 4050.22 154.88 o
1 7 0 15185.11 16164.71 208.57 o
3 7 0 8953.52 8858.40 159.36 o
5 7 0 12485.90 12708.83 206.16 o
7 7 0 8725.94 8689.47 184.24 o
9 7 0 7425.55 7491.01 185.40 o
11 7 0 3875.70 3950.89 152.13 o
0 8 0 8875.98 9304.93 168.79 o
2 8 0 6114.78 6571.56 143.69 o
4 8 0 5547.62 5694.92 142.40 o
6 8 0 4632.82 4661.11 138.02 o
8 8 0 2315.24 2384.47 107.93 o
10 8 0 2897.38 2711.98 129.63 o
1 9 0 2129.66 2268.85 93.05 o
3 9 0 2362.29 2428.58 98.54 o
5 9 0 3401.12 3301.47 124.69 o
7 9 0 1807.67 1758.69 95.94 o
9 9 0 1608.54 1689.25 103.80 o
11 9 0 1760.59 1673.86 117.74 o
0 10 0 6530.20 6457.20 161.72 o
2 10 0 1750.14 1720.31 87.16 o
4 10 0 2358.30 2491.08 108.94 o
6 10 0 1514.92 1525.84 97.37 o
8 10 0 2084.27 2037.64 115.36 o
10 10 0 1089.40 988.72 92.70 o
1 11 0 3075.45 2845.04 118.73 o
3 11 0 4059.25 4136.55 143.64 o
5 11 0 4739.26 4635.01 158.60 o
7 11 0 2382.16 2532.70 124.73 o
9 11 0 1832.22 1801.40 114.00 o
0 12 0 8846.70 8681.58 208.27 o
2 12 0 3934.54 3727.29 141.28 o
4 12 0 4434.16 4585.84 165.50 o
6 12 0 2888.48 3022.27 136.27 o
8 12 0 3123.80 2846.08 146.53 o
1 13 0 3164.21 3013.37 132.17 o
3 13 0 2969.22 2965.49 138.61 o
5 13 0 3646.13 3434.24 157.05 o
0 14 0 1869.20 1665.09 117.51 o
2 14 0 1483.42 1198.58 103.71 o
4 14 0 1469.46 1299.40 117.74 o
0 0 1 35187.30 31006.49 383.12 o
2 0 1 2582.58 2326.23 27.14 o
4 0 1 6672.37 6426.40 104.81 o
6 0 1 3216.56 3033.04 85.13 o
8 0 1 5083.59 4959.70 124.98 o
10 0 1 2684.80 2638.60 105.76 o
12 0 1 2031.89 1976.56 105.47 o
1 1 1 6490.72 6190.24 116.39 o
3 1 1 9271.43 8654.74 114.71 o
5 1 1 14206.36 14268.13 172.41 o
7 1 1 5822.41 5781.65 126.93 o
9 1 1 4691.75 4475.96 127.90 o
11 1 1 4739.63 4511.23 145.53 o
13 1 1 2014.27 2231.49 120.16 o
0 2 1 43880.54 42224.24 182.69 o
2 2 1 18090.03 17352.76 344.96 o
4 2 1 18450.78 17997.82 187.36 o
6 2 1 11756.39 11712.64 171.59 o
8 2 1 8363.57 8243.17 164.07 o
10 2 1 6358.21 5980.75 160.38 o
12 2 1 3968.93 3657.28 145.87 o
1 3 1 28308.26 27839.13 218.53 o
3 3 1 19089.18 19015.06 193.69 o
5 3 1 22256.29 21538.69 230.16 o
7 3 1 13846.36 13960.56 206.25 o
9 3 1 10563.06 11004.19 205.01 o
11 3 1 6640.65 6585.06 176.54 o
13 3 1 3331.89 3340.18 142.98 o
0 4 1 19827.31 20113.52 198.25 o
2 4 1 21981.13 22505.79 215.28 o
4 4 1 16525.40 17145.31 202.04 o
6 4 1 13571.16 13244.16 197.48 o
8 4 1 4758.38 4870.95 133.12 o
10 4 1 7151.70 7054.75 179.71 o
12 4 1 3807.08 3841.79 148.65 o
1 5 1 10325.49 10648.73 153.87 o
3 5 1 4240.27 3925.65 99.61 o
5 5 1 7951.23 8281.77 154.67 o
7 5 1 6183.34 6349.24 150.38 o
9 5 1 5616.90 5699.78 157.72 o
11 5 1 2571.70 2567.78 120.30 o
0 6 1 3780.61 3793.48 98.89 o
2 6 1 5679.49 5912.81 125.44 o
4 6 1 4130.00 4343.52 114.53 o
6 6 1 4191.29 4330.94 123.19 o
8 6 1 750.25 665.13 62.83 o
10 6 1 2886.75 2750.74 124.09 o
12 6 1 1433.44 1495.37 104.98 o
1 7 1 5025.12 5220.53 125.75 o
3 7 1 2682.59 2672.51 94.50 o
5 7 1 4897.73 5087.49 135.05 o
7 7 1 3517.41 3751.62 127.54 o
9 7 1 3323.89 3306.15 127.45 o
11 7 1 1842.04 1827.85 107.94 o
0 8 1 10513.76 10588.83 186.96 o
2 8 1 7467.23 7546.19 161.18 o
4 8 1 6765.63 6756.04 159.45 o
6 8 1 5464.28 5402.30 151.78 o
8 8 1 2983.94 2867.55 121.55 o
10 8 1 3280.11 3223.79 133.98 o
1 9 1 8158.20 8024.74 175.10 o
3 9 1 7881.91 7651.12 176.13 o
5 9 1 8799.71 8892.63 199.83 o
7 9 1 5346.00 5391.30 164.68 o
9 9 1 4183.40 3891.66 146.42 o
0 10 1 11319.36 11342.93 218.60 o
2 10 1 5206.27 5128.75 148.79 o
4 10 1 5635.37 5701.58 166.67 o
6 10 1 3891.25 4200.24 148.49 o
8 10 1 3878.93 4044.69 154.56 o
1 11 1 2107.48 1980.29 102.07 o
3 11 1 2672.43 2639.81 115.15 o
5 11 1 3356.64 3187.63 140.03 o
7 11 1 1707.30 1755.06 113.89 o
0 12 1 2697.22 2705.99 123.44 o
2 12 1 775.21 783.59 73.76 o
4 12 1 1067.81 991.45 90.50 o
6 12 1 652.30 726.41 77.80 o
1 13 1 779.34 817.60 81.15 o
3 13 1 720.95 496.52 79.76 o
5 13 1 1197.55 1230.08 101.76 o
0 14 1 1841.70 1633.29 113.02 o
2 14 1 1490.94 1395.40 110.90 o
0 0 2 29696.32 27344.72 251.48 o
2 0 2 15075.32 14014.19 176.52 o
4 0 2 15063.53 13891.05 189.51 o
6 0 2 10057.78 9491.54 170.56 o
8 0 2 7734.66 7686.54 170.40 o
10 0 2 5474.41 5466.10 162.26 o
12 0 2 3534.50 3611.95 148.97 o
1 1 2 11963.57 11450.10 165.37 o
3 1 2 10826.92 10206.13 157.43 o
5 1 2 13139.27 12446.07 188.67 o
7 1 2 7363.59 7136.75 157.58 o
9 1 2 5819.15 5644.67 156.29 o
11 1 2 4500.60 4317.11 157.67 o
0 2 2 12169.17 12078.02 172.69 o
2 2 2 5950.82 6131.16 124.64 o
4 2 2 6213.37 6103.67 131.01 o
6 2 2 4433.87 4336.46 120.37 o
8 2 2 2922.86 2969.51 111.24 o
10 2 2 2883.05 3056.57 124.61 o
12 2 2 1834.36 1806.88 114.62 o
1 3 2 3578.14 3483.64 97.60 o
3 3 2 2460.33 2381.32 83.70 o
5 3 2 4645.35 4884.47 124.53 o
7 3 2 2857.61 2683.96 102.43 o
9 3 2 2649.76 2675.29 113.35 o
11 3 2 1850.17 1970.10 111.09 o
0 4 2 6631.09 6511.22 136.17 o
2 4 2 5317.78 5379.70 125.47 o
4 4 2 4686.47 4671.59 123.06 o
6 4 2 3941.02 3824.28 119.29 o
8 4 2 1583.97 1659.79 89.89 o
10 4 2 2619.90 2746.68 121.39 o
12 4 2 1487.80 1499.13 106.58 o
1 5 2 8957.20 8771.66 164.10 o
3 5 2 5924.60 5607.94 136.00 o
5 5 2 7793.81 7857.95 168.23 o
7 5 2 5680.04 5446.54 151.18 o
9 5 2 4725.70 4923.90 156.76 o
11 5 2 2828.52 2673.62 132.01 o
0 6 2 11737.16 11831.56 200.34 o
2 6 2 10933.58 11167.83 195.53 o
4 6 2 9160.81 9458.72 188.42 o
6 6 2 7618.51 7716.56 178.53 o
8 6 2 3492.54 3448.09 134.41 o
10 6 2 4329.79 4590.55 163.90 o
1 7 2 7512.18 7777.03 171.45 o
3 7 2 5676.42 5843.98 152.15 o
5 7 2 6886.18 6376.04 166.06 o
7 7 2 4914.45 5081.43 157.01 o
9 7 2 4015.50 3942.72 151.76 o
0 8 2 5073.70 4835.69 144.67 o
2 8 2 3292.98 3138.51 118.83 o
4 8 2 3173.22 3191.21 123.15 o
6 8 2 2510.34 2496.27 117.43 o
8 8 2 1500.86 1595.11 101.77 o
10 8 2 1680.39 1498.03 114.17 o
1 9 2 1282.59 1195.88 84.08 o
3 9 2 1218.41 1265.11 90.13 o
5 9 2 1949.27 2148.86 107.22 o
7 9 2 1136.10 1255.35 94.21 o
9 9 2 1066.78 896.15 90.95 o
0 10 2 2973.18 2885.33 121.30 o
2 10 2 1235.98 1205.44 88.99 o
4 10 2 1429.99 1307.16 93.49 o
6 10 2 998.09 977.79 88.27 o
8 10 2 925.98 752.84 90.93 o
1 11 2 2073.36 2289.74 115.06 o
3 11 2 2064.01 2004.82 118.65 o
5 11 2 2654.15 2661.10 135.54 o
7 11 2 1569.85 1714.46 112.92 o
0 12 2 4293.18 4392.21 167.36 o
2 12 2 2700.42 2789.43 139.77 o
4 12 2 2683.09 2853.48 140.89 o
1 13 2 2015.47 2075.55 124.58 o
0 0 3 3060.67 3117.94 106.28 o
2 0 3 2133.12 2012.42 88.23 o
4 0 3 2040.22 1822.98 87.93 o
6 0 3 1658.65 1623.74 86.24 o
8 0 3 883.74 774.13 78.96 o
10 0 3 1202.21 1104.16 91.79 o
1 1 3 2952.08 3052.09 106.87 o
3 1 3 2228.47 2206.38 94.37 o
5 1 3 3299.85 3207.40 114.92 o
7 1 3 2176.22 2003.82 102.02 o
9 1 3 2009.54 2131.37 110.14 o
0 2 3 7624.92 7362.51 168.62 o
2 2 3 5496.15 5612.79 146.76 o
4 2 3 5040.74 5244.42 145.03 o
6 2 3 3901.07 3738.55 131.55 o
8 2 3 2304.85 2290.39 110.52 o
10 2 3 2429.85 2740.78 130.17 o
1 3 3 6676.10 6610.66 161.46 o
3 3 3 5551.43 5790.28 154.58 o
5 3 3 6706.02 6611.69 171.79 o
7 3 3 4472.43 4653.26 152.35 o
9 3 3 3620.53 3504.52 146.53 o
0 4 3 7320.22 7217.64 174.05 o
2 4 3 5103.79 4917.27 147.23 o
4 4 3 4732.95 4683.81 146.75 o
6 4 3 3672.03 3815.73 140.29 o
8 4 3 2254.58 2403.52 121.82 o
1 5 3 2370.80 2311.71 105.75 o
3 5 3 2028.78 2153.01 104.02 o
5 5 3 2716.65 2885.03 120.37 o
7 5 3 1874.19 1951.07 104.56 o
9 5 3 1577.94 1602.46 108.04 o
0 6 3 2186.01 2285.18 108.74 o
2 6 3 1276.02 1340.07 89.21 o
4 6 3 1301.40 1381.23 91.47 o
6 6 3 1043.43 1099.81 84.07 o
8 6 3 652.59 720.45 78.31 o
1 7 3 1348.97 1319.16 85.72 o
3 7 3 1185.24 1239.64 92.84 o
5 7 3 1669.35 1585.76 101.34 o
7 7 3 1152.93 1257.50 93.38 o
0 8 3 3588.03 3538.17 141.28 o
2 8 3 2376.08 2510.33 125.21 o
4 8 3 2322.74 2296.47 123.54 o
6 8 3 1763.28 1733.16 109.78 o
1 9 3 2898.29 2969.50 136.18 o
3 9 3 2500.22 2425.91 129.75 o
5 9 3 3036.93 2955.27 145.35 o
0 10 3 3010.38 3131.78 142.98 o
2 10 3 2187.72 2459.03 129.92 o
4 10 3 2077.23 2049.07 132.57 o
1 11 3 944.22 989.93 88.92 o
0 0 4 3285.21 3453.36 135.36 o
2 0 4 3277.40 3035.33 128.90 o
4 0 4 2748.25 2635.77 122.07 o
6 0 4 2328.55 2340.19 125.83 o
1 1 4 2363.36 2366.12 116.40 o
3 1 4 1730.91 1762.79 100.32 o
5 1 4 2243.87 2294.36 122.73 o
7 1 4 1682.13 1870.73 115.82 o
0 2 4 1610.29 1603.17 102.82 o
2 2 4 1290.50 1312.11 94.75 o
4 2 4 1151.79 1231.35 89.53 o
6 2 4 964.56 889.60 86.87 o
1 3 4 631.06 669.68 78.36 o
3 3 4 544.39 670.19 72.50 o
5 3 4 889.56 921.42 81.47 o
0 4 4 1631.13 1689.92 104.41 o
2 4 4 859.26 945.25 79.26 o
4 4 4 888.76 1063.62 90.36 o
6 4 4 668.03 742.67 83.29 o
1 5 4 1415.58 1538.33 105.55 o
3 5 4 1453.19 1488.95 112.29 o
5 5 4 1718.16 1815.21 114.18 o
0 6 4 3106.73 3215.73 149.13 o
2 6 4 1855.87 1961.04 122.85 o
4 6 4 1866.28 1954.66 120.79 o
1 7 4 1362.71 1314.12 109.54 o